CID 202291

10077-96-0

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)OC
InChI
InChI=1S/C13H15N3O3/c1-9-11(14-13(18)19-3)12(17)16(15(9)2)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,18)
InChIKey
PRKKQIFQEAKSAH-UHFFFAOYSA-N
Compound name
methyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

261.11133 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 157.3
[M+Na]+ 284.10055 167.2
[M-H]- 260.10405 162.7
[M+NH4]+ 279.14515 173.4
[M+K]+ 300.07449 164.4
[M+H-H2O]+ 244.10859 149.1
[M+HCOO]- 306.10953 181.2
[M+CH3COO]- 320.12518 198.1
[M+Na-2H]- 282.08600 159.8
[M]+ 261.11078 160.8
[M]- 261.11188 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.